SCHEMBL24612277

SCHEMBL24612277

N#Cc1cc(N2CCOCC2)c(C(=N)OC(=N)NC2CNc3ccccc3C(c3ccccc3)=N2)s1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 9/20 0.35
▸ LMNA P02545 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LRRK2 Q5S007 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CCKBR P32239 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20867181 0.85 CBLB (0.51) CBLBCCKBR
SCHEMBL20866901 0.85 CBLB (0.51) CBLBCCKBR
SCHEMBL24612294 0.76 CHRNA7 (0.35) CBLBKDM4ELRRK2NPSR1CCKBR
SCHEMBL20867075 0.74 CBLB (0.52) CBLBCCKBR
SCHEMBL20866710 0.74 CBLB (0.42) CBLBCCKBR
SCHEMBL20866709 0.74 CBLB (0.42) CBLBCCKBR
SCHEMBL24612052 0.72 LRRK2 (0.37) LRRK2CCKBR
SCHEMBL24611980 0.70 CCKBR (0.52) CBLBCCKBR
SCHEMBL20866921 0.69 CBLB (0.35) CBLB
SCHEMBL20866897 0.69 CCKBR (0.49) CBLBCCKBR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 — — EP disclosed
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